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Information card for entry 7010316
Preview
Coordinates | 7010316.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H43 Cl N2 O0.5 P Pd S |
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Calculated formula | C33 H43 Cl N2 O0.5 P Pd S |
SMILES | [Pd]1(Cl)([P@@]2([C@H]3C(=C([C@@H]2C[C@@H]3C(=S)N(C)C)C)C)c2ccccc2)[N]([C@H](c2c1ccc1ccccc21)C)(C)C.O(CC)CC |
Title of publication | Coordination chemistry, reactivities, and stereoelectronic properties of chelating phosphine ligands containing thioamide substituents |
Authors of publication | Leung, Pak-Hing; Qin, Ying; He, Guosen; Mok, K. F.; Vittal, Jagadese J. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2001 |
Journal issue | 3 |
Pages of publication | 309 |
a | 12.5862 ± 0.0004 Å |
b | 22.6849 ± 0.0007 Å |
c | 23.3035 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6653.5 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 8 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0548 |
Residual factor for significantly intense reflections | 0.0362 |
Weighted residual factors for all reflections | 0.0805 |
Weighted residual factors for significantly intense reflections | 0.0716 |
Goodness-of-fit parameter for all reflections | 1.06 |
Goodness-of-fit parameter for significantly intense reflections | 1.044 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7010316.html
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